[1-(dimethylamino)cyclopentyl]-(5-methylthiophen-3-yl)methanone

C13H19NOS — CID 79067454

IUPAC[1-(dimethylamino)cyclopentyl]-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)C2(N(C)C)CCCC2)cs1
InChIInChI=1S/C13H19NOS/c1-10-8-11(9-16-10)12(15)13(14(2)3)6-4-5-7-13/h8-9H,4-7H2,1-3H3
InChIKeyJKOFRUDPUWJNNF-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.11
Rot. Bonds3

About [1-(dimethylamino)cyclopentyl]-(5-methylthiophen-3-yl)methanone

[1-(dimethylamino)cyclopentyl]-(5-methylthiophen-3-yl)methanone (PubChem CID 79067454) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is [1-(dimethylamino)cyclopentyl]-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[1-(dimethylamino)cyclopentyl]-(5-methylthiophen-3-yl)methanone
PubChem CID79067454
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name[1-(dimethylamino)cyclopentyl]-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)C2(N(C)C)CCCC2)cs1
InChIInChI=1S/C13H19NOS/c1-10-8-11(9-16-10)12(15)13(14(2)3)6-4-5-7-13/h8-9H,4-7H2,1-3H3
InChIKeyJKOFRUDPUWJNNF-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(dimethylamino)cycloheptyl]-(5-methylthiophen-3-yl)methanone
CID 79074712
(1-aminocyclopentyl)-(5-methylthiophen-3-yl)methanone
CID 116558927
[1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone
CID 79066640
(1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone
CID 116707055
(3-methylpiperidin-3-yl)-(5-methylthiophen-3-yl)methanone
CID 116569577
[1-(dimethylamino)cyclopentyl]-(3-methylthiophen-2-yl)methanone
CID 79991094
2-(1-aminocyclopentyl)-1-(5-methylthiophen-3-yl)ethanone
CID 116578861
(4-chlorophenyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066108
[4-(aminomethyl)oxan-4-yl]-(5-methylthiophen-3-yl)methanone
CID 116603243
[1-(dimethylamino)cyclohexyl]-(6-methyl-3-pyridinyl)methanone
CID 79066112
[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethanone
CID 79067610
2-(1-methoxycyclobutyl)-1-(5-methylthiophen-3-yl)ethanone
CID 103558846

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclopentyl]-(5-methylthiophen-3-yl)methanone?
The IUPAC name of [1-(dimethylamino)cyclopentyl]-(5-methylthiophen-3-yl)methanone (CID 79067454) is [1-(dimethylamino)cyclopentyl]-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for [1-(dimethylamino)cyclopentyl]-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for [1-(dimethylamino)cyclopentyl]-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)C2(N(C)C)CCCC2)cs1.
What is the InChIKey of [1-(dimethylamino)cyclopentyl]-(5-methylthiophen-3-yl)methanone?
The InChIKey is JKOFRUDPUWJNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10-8-11(9-16-10)12(15)13(14(2)3)6-4-5-7-13/h8-9H,4-7H2,1-3H3.
What are the key properties of [1-(dimethylamino)cyclopentyl]-(5-methylthiophen-3-yl)methanone?
[1-(dimethylamino)cyclopentyl]-(5-methylthiophen-3-yl)methanone has a molecular weight of 237.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclopentyl]-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 79067454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).